PURU - BACSU - GREMLIN Contacts

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PURU - Formyltetrahydrofolate deformylase

UniProt:	O34990	Sequences: MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	300 (280)
Sequences:	2257 (1202)
Seq/√Len:	71.9

ECOLI - PURU
BACSU - PURU
HALSA - Q9HNU0

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
144_R	148_E	5.350	1.00
238_Y	284_H	5.276	1.00
170_K	173_E	4.952	1.00
141_E	144_R	4.625	1.00
136_V	147_V	3.969	1.00
250_E	255_R	3.836	1.00
157_M	167_V	3.750	1.00
219_N	222_K	3.375	1.00
40_L	45_A	3.305	1.00
106_V	131_A	3.287	1.00
160_N	163_I	3.235	1.00
39_F	84_F	3.135	1.00
104_K	287_D	2.803	1.00
131_A	285_L	2.753	1.00
194_P	241_N	2.664	1.00
107_A	135_V	2.583	1.00
252_D	276_V	2.537	1.00
105_R	132_E	2.531	1.00
77_K	81_Q	2.487	1.00
110_V	138_S	2.474	1.00
172_L	199_A	2.462	1.00
260_D	268_I	2.302	1.00
173_E	177_Q	2.270	1.00
134_A	180_V	2.253	1.00
103_L	132_E	2.175	1.00
176_E	199_A	2.161	1.00
200_H	204_I	2.097	1.00
242_D	245_E	2.066	1.00
28_D	46_N	2.044	1.00
109_F	171_Q	2.019	1.00
119_E	123_E	1.970	1.00
105_R	179_D	1.940	1.00
120_L	281_V	1.926	1.00
43_H	83_A	1.906	1.00
168_E	193_T	1.896	1.00
135_V	178_Y	1.819	1.00
107_A	180_V	1.801	1.00
114_L	143_A	1.796	1.00
98_T	287_D	1.784	1.00
28_D	55_T	1.781	1.00
137_I	171_Q	1.778	1.00
236_S	280_A	1.732	1.00
185_L	239_V	1.718	1.00
182_V	281_V	1.688	1.00
272_I	276_V	1.675	1.00
145_E	148_E	1.651	1.00
163_I	166_E	1.643	0.99
175_L	183_I	1.631	0.99
39_F	83_A	1.624	0.99
141_E	156_Y	1.624	0.99
201_P	204_I	1.621	0.99
123_E	278_A	1.601	0.99
25_S	94_T	1.591	0.99
76_K	79_S	1.566	0.99
112_K	142_E	1.530	0.99
49_E	67_E	1.497	0.99
202_N	291_V	1.493	0.99
254_E	272_I	1.467	0.99
19_K	67_E	1.467	0.99
35_A	91_F	1.465	0.99
172_L	200_H	1.462	0.99
36_V	64_L	1.461	0.99
292_H	297_I	1.456	0.99
106_V	182_V	1.453	0.99
35_A	90_K	1.448	0.99
32_I	91_F	1.442	0.99
262_A	266_K	1.409	0.98
262_A	265_L	1.407	0.98
34_S	38_A	1.398	0.98
164_R	193_T	1.378	0.98
38_A	42_E	1.376	0.98
155_H	178_Y	1.371	0.98
165_A	195_D	1.358	0.98
85_A	89_E	1.347	0.98
105_R	134_A	1.324	0.98
135_V	180_V	1.323	0.98
257_D	260_D	1.306	0.97
195_D	198_S	1.280	0.97
21_R	287_D	1.278	0.97
222_K	266_K	1.257	0.97
159_A	164_R	1.240	0.96
22_L	97_L	1.231	0.96
77_K	99_L	1.230	0.96
165_A	169_K	1.225	0.96
114_L	122_W	1.219	0.96
169_K	173_E	1.214	0.96
107_A	175_L	1.210	0.96
88_A	95_W	1.207	0.96
164_R	190_Q	1.192	0.96
159_A	167_V	1.192	0.96
119_E	271_T	1.186	0.95
118_H	122_W	1.177	0.95
37_S	50_S	1.168	0.95
103_L	130_M	1.168	0.95
216_I	245_E	1.163	0.95
128_N	270_R	1.160	0.95
282_K	286_E	1.160	0.95
157_M	170_K	1.149	0.95
194_P	198_S	1.147	0.95
146_L	150_L	1.136	0.94
141_E	148_E	1.130	0.94
29_Q	90_K	1.119	0.94
166_E	170_K	1.112	0.94
223_R	245_E	1.112	0.94
261_N	264_A	1.104	0.93
52_Q	66_I	1.104	0.93
131_A	134_A	1.103	0.93
119_E	278_A	1.090	0.93
169_K	195_D	1.086	0.93
107_A	137_I	1.085	0.93
222_K	226_E	1.083	0.93
23_L	96_S	1.079	0.93
159_A	163_I	1.076	0.92
109_F	183_I	1.069	0.92
155_H	174_L	1.068	0.92
157_M	174_L	1.065	0.92
124_W	133_I	1.059	0.92
45_A	70_C	1.059	0.92
84_F	88_A	1.053	0.92
36_V	93_M	1.050	0.92
197_V	204_I	1.042	0.91
160_N	166_E	1.035	0.91
79_S	82_A	1.034	0.91
198_S	201_P	1.031	0.91
21_R	100_A	1.026	0.91
104_K	181_D	1.024	0.90
34_S	41_F	1.017	0.90
84_F	97_L	1.008	0.90
20_G	68_F	1.005	0.90
184_V	277_L	1.003	0.90
106_V	134_A	1.000	0.89
205_I	249_I	0.997	0.89
22_L	68_F	0.996	0.89
145_E	151_N	0.995	0.89
252_D	279_R	0.988	0.89
172_L	195_D	0.976	0.88
86_S	90_K	0.972	0.88
82_A	85_A	0.972	0.88
39_F	43_H	0.968	0.88
250_E	279_R	0.966	0.88
114_L	118_H	0.957	0.87
78_S	81_Q	0.949	0.87
231_L	255_R	0.948	0.87
50_S	66_I	0.941	0.86
61_R	292_H	0.941	0.86
138_S	188_Y	0.935	0.86
123_E	271_T	0.931	0.86
284_H	289_V	0.928	0.86
171_Q	196_F	0.926	0.85
32_I	52_Q	0.925	0.85
118_H	146_L	0.924	0.85
46_N	69_D	0.923	0.85
111_S	138_S	0.922	0.85
183_I	200_H	0.912	0.85
109_F	137_I	0.911	0.84
84_F	95_W	0.905	0.84
29_Q	92_D	0.904	0.84
104_K	285_L	0.902	0.84
46_N	52_Q	0.901	0.84
58_E	226_E	0.901	0.84
86_S	89_E	0.901	0.84
107_A	174_L	0.898	0.84
40_L	68_F	0.888	0.83
267_N	282_K	0.887	0.83
172_L	176_E	0.879	0.82
159_A	188_Y	0.870	0.82
61_R	94_T	0.867	0.81
264_A	267_N	0.863	0.81
81_Q	95_W	0.860	0.81
124_W	132_E	0.858	0.81
48_I	69_D	0.847	0.80
123_E	128_N	0.844	0.80
134_A	178_Y	0.837	0.79
252_D	255_R	0.832	0.79
114_L	125_Q	0.832	0.79
105_R	180_V	0.831	0.79
231_L	250_E	0.830	0.78
147_V	152_I	0.830	0.78
28_D	50_S	0.829	0.78
32_I	46_N	0.826	0.78
32_I	36_V	0.822	0.78
192_L	196_F	0.818	0.77
219_N	266_K	0.817	0.77
108_I	133_I	0.817	0.77
27_P	92_D	0.816	0.77
290_I	299_F	0.814	0.77
83_A	86_S	0.812	0.77
99_L	102_E	0.807	0.77
130_M	285_L	0.806	0.76
106_V	285_L	0.803	0.76
29_Q	35_A	0.802	0.76
39_F	87_V	0.796	0.76
271_T	275_S	0.793	0.75
210_S	239_V	0.791	0.75
167_V	171_Q	0.790	0.75
143_A	154_F	0.790	0.75
135_V	174_L	0.790	0.75
30_P	41_F	0.786	0.75
37_S	41_F	0.785	0.75
49_E	259_R	0.783	0.74
197_V	202_N	0.781	0.74
108_I	120_L	0.781	0.74
79_S	83_A	0.780	0.74
225_Y	295_K	0.778	0.74
19_K	48_I	0.778	0.74
110_V	117_L	0.774	0.73
118_H	274_R	0.773	0.73
46_N	204_I	0.772	0.73
254_E	268_I	0.771	0.73
30_P	46_N	0.770	0.73
198_S	241_N	0.770	0.73
173_E	176_E	0.768	0.73
197_V	241_N	0.767	0.73
25_S	61_R	0.762	0.72
56_D	59_G	0.756	0.72
106_V	181_D	0.751	0.71
136_V	152_I	0.745	0.71
122_W	150_L	0.741	0.70
24_V	36_V	0.739	0.70
113_E	223_R	0.732	0.69
193_T	280_A	0.730	0.69
135_V	155_H	0.726	0.69
157_M	171_Q	0.726	0.69
33_V	37_S	0.724	0.68
28_D	32_I	0.723	0.68
171_Q	175_L	0.723	0.68
114_L	128_N	0.722	0.68
168_E	280_A	0.719	0.68
134_A	137_I	0.715	0.67
159_A	193_T	0.715	0.67
40_L	66_I	0.713	0.67
77_K	97_L	0.707	0.67
19_K	69_D	0.704	0.66
42_E	83_A	0.704	0.66
124_W	152_I	0.703	0.66
168_E	236_S	0.703	0.66
26_C	93_M	0.699	0.66
197_V	203_R	0.695	0.65
81_Q	99_L	0.695	0.65
98_T	102_E	0.695	0.65
148_E	151_N	0.691	0.65
52_Q	64_L	0.691	0.65
113_E	266_K	0.690	0.65
33_V	66_I	0.690	0.65
24_V	55_T	0.686	0.64
77_K	101_S	0.685	0.64
182_V	285_L	0.685	0.64
209_H	234_A	0.681	0.64
30_P	71_A	0.680	0.64
216_I	242_D	0.678	0.63
168_E	172_L	0.676	0.63
178_Y	181_D	0.672	0.63
136_V	151_N	0.670	0.62
257_D	268_I	0.670	0.62
232_I	240_T	0.669	0.62
113_E	143_A	0.666	0.62
40_L	80_L	0.663	0.62
39_F	95_W	0.661	0.61
275_S	279_R	0.661	0.61
121_I	152_I	0.660	0.61
153_P	178_Y	0.660	0.61
195_D	199_A	0.659	0.61
136_V	148_E	0.659	0.61
209_H	220_P	0.658	0.61
56_D	297_I	0.657	0.61
184_V	281_V	0.654	0.61
138_S	152_I	0.654	0.61
159_A	190_Q	0.653	0.60
222_K	262_A	0.653	0.60
96_S	287_D	0.652	0.60
120_L	278_A	0.650	0.60
192_L	204_I	0.643	0.59
226_E	294_N	0.638	0.59
82_A	86_S	0.637	0.59
221_Y	269_G	0.636	0.58
252_D	272_I	0.633	0.58
37_S	231_L	0.632	0.58
105_R	177_Q	0.632	0.58
196_F	200_H	0.631	0.58
22_L	95_W	0.629	0.58
211_F	227_R	0.629	0.58
106_V	184_V	0.626	0.57
259_R	298_V	0.625	0.57
68_F	196_F	0.623	0.57
193_T	196_F	0.623	0.57
220_P	234_A	0.621	0.57
225_Y	232_I	0.619	0.56
169_K	179_D	0.615	0.56
46_N	214_A	0.614	0.56
255_R	283_W	0.612	0.56
28_D	62_F	0.612	0.56
40_L	91_F	0.610	0.55
118_H	126_T	0.609	0.55
30_P	44_G	0.607	0.55
130_M	286_E	0.607	0.55
256_V	260_D	0.606	0.55
151_N	155_H	0.606	0.55
43_H	74_R	0.603	0.54
48_I	57_P	0.603	0.54
263_E	270_R	0.602	0.54
35_A	41_F	0.601	0.54
131_A	182_V	0.599	0.54
20_G	77_K	0.598	0.54
103_L	106_V	0.597	0.54
65_R	234_A	0.596	0.54
281_V	284_H	0.595	0.53
46_N	55_T	0.594	0.53
93_M	187_R	0.594	0.53
191_I	291_V	0.594	0.53
162_D	166_E	0.593	0.53
130_M	136_V	0.592	0.53
35_A	42_E	0.590	0.53
252_D	275_S	0.589	0.53
68_F	138_S	0.589	0.53
97_L	225_Y	0.588	0.53
23_L	49_E	0.584	0.52
33_V	62_F	0.582	0.52
161_K	190_Q	0.582	0.52
25_S	50_S	0.579	0.52
216_I	239_V	0.578	0.51
170_K	177_Q	0.578	0.51
117_L	136_V	0.577	0.51
134_A	184_V	0.575	0.51
90_K	102_E	0.571	0.51
160_N	165_A	0.571	0.51
161_K	179_D	0.570	0.50
41_F	295_K	0.570	0.50
183_I	204_I	0.569	0.50
137_I	174_L	0.569	0.50
32_I	55_T	0.569	0.50
111_S	187_R	0.568	0.50
260_D	264_A	0.567	0.50
58_E	225_Y	0.567	0.50
154_F	240_T	0.566	0.50
143_A	146_L	0.566	0.50
18_D	99_L	0.565	0.50
145_E	149_R	0.565	0.50
168_E	192_L	0.563	0.50
67_E	100_A	0.563	0.50
204_I	214_A	0.562	0.49
124_W	138_S	0.561	0.49
87_V	91_F	0.561	0.49
121_I	150_L	0.560	0.49
182_V	284_H	0.560	0.49
192_L	197_V	0.559	0.49
134_A	152_I	0.557	0.49
47_I	270_R	0.557	0.49
174_L	178_Y	0.555	0.49
200_H	203_R	0.554	0.48
223_R	226_E	0.554	0.48
23_L	290_I	0.554	0.48
236_S	295_K	0.552	0.48
34_S	122_W	0.552	0.48
136_V	144_R	0.552	0.48
136_V	149_R	0.551	0.48
176_E	200_H	0.551	0.48
118_H	150_L	0.551	0.48
138_S	242_D	0.550	0.48
146_L	161_K	0.550	0.48
156_Y	279_R	0.549	0.48
113_E	270_R	0.548	0.48
211_F	253_I	0.546	0.47
140_H	159_A	0.545	0.47
92_D	203_R	0.544	0.47
24_V	64_L	0.542	0.47
202_N	240_T	0.541	0.47
55_T	214_A	0.539	0.47
64_L	239_V	0.539	0.47
142_E	256_V	0.539	0.47
194_P	256_V	0.539	0.47
78_S	179_D	0.538	0.46
176_E	179_D	0.538	0.46
106_V	281_V	0.537	0.46
209_H	258_H	0.537	0.46
161_K	166_E	0.535	0.46
136_V	176_E	0.534	0.46
35_A	38_A	0.532	0.46
41_F	214_A	0.529	0.45
88_A	93_M	0.529	0.45
201_P	241_N	0.527	0.45
42_E	89_E	0.527	0.45
193_T	236_S	0.527	0.45
64_L	93_M	0.526	0.45
20_G	191_I	0.526	0.45
175_L	180_V	0.526	0.45
46_N	168_E	0.525	0.45
48_I	268_I	0.525	0.45
66_I	236_S	0.525	0.45
201_P	291_V	0.524	0.45
118_H	257_D	0.523	0.45
141_E	154_F	0.522	0.45
23_L	214_A	0.521	0.44
109_F	204_I	0.519	0.44
20_G	99_L	0.519	0.44
150_L	214_A	0.518	0.44
109_F	175_L	0.517	0.44
36_V	84_F	0.515	0.44
33_V	47_I	0.513	0.43
50_S	62_F	0.511	0.43
111_S	140_H	0.511	0.43
63_F	276_V	0.511	0.43
138_S	156_Y	0.511	0.43
172_L	183_I	0.510	0.43
227_R	230_K	0.510	0.43
84_F	87_V	0.510	0.43
211_F	276_V	0.510	0.43
56_D	292_H	0.509	0.43
240_T	250_E	0.509	0.43
223_R	266_K	0.508	0.43
155_H	177_Q	0.508	0.43
36_V	137_I	0.507	0.43
174_L	177_Q	0.507	0.43
76_K	87_V	0.506	0.43
87_V	90_K	0.505	0.42
173_E	199_A	0.504	0.42
125_Q	199_A	0.503	0.42
62_F	116_C	0.502	0.42
87_V	174_L	0.502	0.42
79_S	85_A	0.501	0.42
38_A	82_A	0.500	0.42

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
3obiA	4	0.9433	100	0.322	Contact Map
3louA	3	0.9333	100	0.324	Contact Map
3nrbA	4	0.94	100	0.326	Contact Map
3n0vA	4	0.9333	100	0.335	Contact Map
3w7bA	3	0.9467	100	0.339	Contact Map
3o1lA	3	0.9833	100	0.34	Contact Map
3tqrA	2	0.6533	100	0.614	Contact Map
3aufA	2	0.6967	100	0.616	Contact Map
1jkxA	2	0.6567	100	0.617	Contact Map
2ywrA	2	0.66	100	0.621	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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